Geometry & MOs

Info

ID:	60448
PubChem CID:	26686684
Reduced:	ClSN3O5H18C20 (1)
Stoich.:	ABC3D5E18F20 (1)
Weight, g/mol:	467.080551
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	4.14
IP(EA), eV:	-9.67(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxy-4-methoxycarbonylphenyl) 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3=NN=CO3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations